5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

C20H19ClN4O3S — CID 133426408

IUPAC5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(Nc2cc(C#N)c3cc(Cl)ccc3n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H19ClN4O3S/c1-4-28-18-8-6-15(11-19(18)29(26,27)25(2)3)23-20-9-13(12-22)16-10-14(21)5-7-17(16)24-20/h5-11H,4H2,1-3H3,(H,23,24)
InChIKeyDDWPTORAXZOLKL-UHFFFAOYSA-N
MW430.92 g/mol
LogP4.15
Rot. Bonds6

About 5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 133426408) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
PubChem CID133426408
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(Nc2cc(C#N)c3cc(Cl)ccc3n2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H19ClN4O3S/c1-4-28-18-8-6-15(11-19(18)29(26,27)25(2)3)23-20-9-13(12-22)16-10-14(21)5-7-17(16)24-20/h5-11H,4H2,1-3H3,(H,23,24)
InChIKeyDDWPTORAXZOLKL-UHFFFAOYSA-N
XLogP4.15
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387641
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 8840824
5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267806
3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide
CID 133304285
6-chloro-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]quinoline-4-carbonitrile
CID 133429186
6-chloro-2-[4-(imidazol-1-ylmethyl)anilino]quinoline-4-carbonitrile
CID 133426085
(2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide
CID 99783817
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide
CID 17478688
2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 133432212
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 31743631

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (CID 133426408) is 5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is CCOc1ccc(Nc2cc(C#N)c3cc(Cl)ccc3n2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is DDWPTORAXZOLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-4-28-18-8-6-15(11-19(18)29(26,27)25(2)3)23-20-9-13(12-22)16-10-14(21)5-7-17(16)24-20/h5-11H,4H2,1-3H3,(H,23,24).
What are the key properties of 5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 430.92 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 133426408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).